HMDB0060580 RDKit 3D Ethisterone 51 54 0 0 0 0 0 0 0 0999 V2000 3.7033 2.4813 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 1.3393 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 -0.0433 0.4948 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3373 -0.3220 1.5757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 -0.9444 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 -1.1754 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 -0.2068 -0.6185 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0742 -0.4658 -0.6806 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4275 -0.2853 -2.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 0.3907 -2.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5587 0.6211 -1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 1.2563 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5494 1.4863 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 2.3414 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3119 0.6742 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 0.6037 1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 0.1169 0.2431 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2292 -1.4066 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 0.4809 0.2988 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0552 0.3858 1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 0.7286 1.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 -0.3170 0.8055 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9256 -1.7095 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 3.4978 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2805 -0.4525 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 -0.4316 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 -1.8952 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -2.2300 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 -0.9595 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7709 0.8112 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 -1.5001 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4872 -1.3090 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 0.2139 -2.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 1.4083 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -0.1394 -2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0335 1.6142 -2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 1.1546 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7735 -0.3192 1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -0.1339 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 1.6246 1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -1.5909 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -1.7959 -0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6549 -1.9127 0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 1.5111 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 -0.6069 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5422 1.1277 2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 0.7798 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 1.6965 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 -1.7203 2.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -2.0943 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -2.3789 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 6 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 6 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 3 1 0 22 7 1 0 19 8 1 0 17 11 1 0 1 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 6 8 31 1 1 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 6 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 M END